SCHEMBL22453637

SCHEMBL22453637

O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Nc2ccc(Nc3cccc(C(=O)O)n3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.55
▸ CNR2 P34972 4/20 0.51
▸ EPHX2 P34913 5/20 0.50
▸ POLB P06746 1/20 0.50
▸ TSHR P16473 1/20 0.46
▸ EPHX1 P07099 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22452808 0.82 CYP2C9 (0.48) EPHX2MEN1KMT2A
SCHEMBL22452982 0.82 CYP2C9 (0.48) EPHX2MEN1KMT2A
SCHEMBL22452559 0.81 CNR2 (0.43) FAAHCNR2EPHX2POLBMEN1
SCHEMBL22453689 0.77 CYP2C9 (0.44) EPHX2MEN1KMT2A
SCHEMBL22453323 0.76 FAAH (0.63) FAAHCNR2EPHX2POLBTSHR
SCHEMBL22453512 0.76 POLB (0.86) FAAHCNR2EPHX2POLBTSHR
SCHEMBL22453070 0.76 DHODH (0.58) FAAHCNR2EPHX2POLBTSHR
SCHEMBL22452799 0.76 EPHX2 (0.53) EPHX2
SCHEMBL28355432 0.75 FAAH (0.78) FAAHCNR2EPHX2POLBTSHR
SCHEMBL22452816 0.74 FAAH (0.64) FAAHCNR2EPHX2POLBTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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